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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 1-[[(3S)-1-pentylpyrrolidin-3-yl]methyl]piperazine 1-[[(3S)-1-pentylpyrrolidin-3-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.11 6.14 -84.03 3 3 2 24 241.423 6 ↓
Hi High (pH 8-9.5) 2.11 4.79 -34.13 2 3 1 20 240.415 6 ↓

Analogs

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Popular Name: 1-[[(3R)-1-pentylpyrrolidin-3-yl]methyl]piperazine 1-[[(3R)-1-pentylpyrrolidin-3-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.11 6.09 -84.16 3 3 2 24 241.423 6 ↓
Hi High (pH 8-9.5) 2.11 4.73 -33.95 2 3 1 20 240.415 6 ↓

Analogs

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Popular Name: 1-[[(3S)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]piperazine 1-[[(3S)-1-(3-methoxypropyl)pyrr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.43 3.65 -85.88 3 4 2 34 243.395 6 ↓
Hi High (pH 8-9.5) 0.43 2.3 -36.01 2 4 1 29 242.387 6 ↓

Analogs

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Popular Name: 1-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]piperazine 1-[[(3R)-1-(3-methoxypropyl)pyrr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.43 3.59 -86.07 3 4 2 34 243.395 6 ↓
Hi High (pH 8-9.5) 0.43 2.25 -35.88 2 4 1 29 242.387 6 ↓

Analogs

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Popular Name: N,N-dimethyl-3-[(3S)-3-(piperazin-1-ylmethyl)pyrrolidin-1-yl]propan-1-amine N,N-dimethyl-3-[(3S)-3-(piperazi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.47 5.89 -156.3 4 4 3 29 257.446 6 ↓
Mid Mid (pH 6-8) 0.47 3.43 -77.56 3 4 2 28 256.438 6 ↓
Mid Mid (pH 6-8) 0.47 3.41 -85.48 3 4 2 28 256.438 6 ↓

Analogs

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Popular Name: N,N-dimethyl-3-[(3R)-3-(piperazin-1-ylmethyl)pyrrolidin-1-yl]propan-1-amine N,N-dimethyl-3-[(3R)-3-(piperazi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.47 5.87 -157.13 4 4 3 29 257.446 6 ↓
Mid Mid (pH 6-8) 0.47 3.48 -78.34 3 4 2 28 256.438 6 ↓
Mid Mid (pH 6-8) 0.47 3.36 -85.48 3 4 2 28 256.438 6 ↓

Analogs

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Popular Name: 1-methyl-4-[[(3S)-3-methylpyrrolidin-3-yl]methyl]piperazine 1-methyl-4-[[(3S)-3-methylpyrrol…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.77 3.83 -86.61 3 3 2 24 199.342 2 ↓
Hi High (pH 8-9.5) 0.77 1.48 -38.11 2 3 1 23 198.334 2 ↓

Analogs

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Popular Name: 1-methyl-4-[[(3R)-3-methylpyrrolidin-3-yl]methyl]piperazine 1-methyl-4-[[(3R)-3-methylpyrrol…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.77 3.93 -83.18 3 3 2 24 199.342 2 ↓
Hi High (pH 8-9.5) 0.77 1.58 -38.79 2 3 1 23 198.334 2 ↓

Analogs

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Popular Name: 1-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]-4-methyl-piperazine 1-[[(3S)-3-ethylpyrrolidin-3-yl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.10 4.77 -90.63 3 3 2 24 213.369 3 ↓
Hi High (pH 8-9.5) 1.10 2.34 -36.24 2 3 1 23 212.361 3 ↓

Analogs

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Popular Name: 1-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]-4-methyl-piperazine 1-[[(3R)-3-ethylpyrrolidin-3-yl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.10 4.35 -84.11 3 3 2 24 213.369 3 ↓
Hi High (pH 8-9.5) 1.10 2 -39.27 2 3 1 23 212.361 3 ↓

Analogs

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Popular Name: 1-methyl-4-[[(3S)-3-propylpyrrolidin-3-yl]methyl]piperazine 1-methyl-4-[[(3S)-3-propylpyrrol…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.66 5.54 -91.46 3 3 2 24 227.396 4 ↓
Hi High (pH 8-9.5) 1.66 3.1 -36.63 2 3 1 23 226.388 4 ↓

Analogs

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Popular Name: 1-methyl-4-[[(3R)-3-propylpyrrolidin-3-yl]methyl]piperazine 1-methyl-4-[[(3R)-3-propylpyrrol…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.66 5.1 -85.09 3 3 2 24 227.396 4 ↓
Hi High (pH 8-9.5) 1.66 2.73 -40.09 2 3 1 23 226.388 4 ↓

Analogs

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Popular Name: 1-[[(3R)-3-methylpyrrolidin-3-yl]methyl]-4-propyl-piperazine 1-[[(3R)-3-methylpyrrolidin-3-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.64 5.45 -83.83 3 3 2 24 227.396 4 ↓
Hi High (pH 8-9.5) 1.64 3.18 -38.48 2 3 1 23 226.388 4 ↓

Analogs

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Popular Name: 1-[[(3S)-3-methylpyrrolidin-3-yl]methyl]-4-propyl-piperazine 1-[[(3S)-3-methylpyrrolidin-3-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.64 5.21 -87.94 3 3 2 24 227.396 4 ↓
Hi High (pH 8-9.5) 1.64 2.94 -37.96 2 3 1 23 226.388 4 ↓

Analogs

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Popular Name: 1-ethyl-4-[[(3R)-3-methylpyrrolidin-3-yl]methyl]piperazine 1-ethyl-4-[[(3R)-3-methylpyrroli…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.14 4.71 -82.43 3 3 2 24 213.369 3 ↓
Hi High (pH 8-9.5) 1.14 2.45 -38.56 2 3 1 23 212.361 3 ↓

Analogs

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Popular Name: 1-ethyl-4-[[(3S)-3-methylpyrrolidin-3-yl]methyl]piperazine 1-ethyl-4-[[(3S)-3-methylpyrroli…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.14 4.49 -85.96 3 3 2 24 213.369 3 ↓
Hi High (pH 8-9.5) 1.14 2.23 -37.88 2 3 1 23 212.361 3 ↓

Analogs

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Popular Name: 1-ethyl-4-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]piperazine 1-ethyl-4-[[(3S)-3-ethylpyrrolid…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.48 4.99 -88.96 3 3 2 24 227.396 4 ↓
Hi High (pH 8-9.5) 1.48 2.73 -38.96 2 3 1 23 226.388 4 ↓

Analogs

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Popular Name: 1-ethyl-4-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]piperazine 1-ethyl-4-[[(3R)-3-ethylpyrrolid…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.48 5.03 -83.63 3 3 2 24 227.396 4 ↓
Hi High (pH 8-9.5) 1.48 2.76 -39.05 2 3 1 23 226.388 4 ↓

Analogs

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Popular Name: 1-ethyl-4-[[(3S)-3-propylpyrrolidin-3-yl]methyl]piperazine 1-ethyl-4-[[(3S)-3-propylpyrroli…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.04 5.75 -89.7 3 3 2 24 241.423 5 ↓
Hi High (pH 8-9.5) 2.04 3.5 -39.37 2 3 1 23 240.415 5 ↓

Analogs

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Popular Name: 1-ethyl-4-[[(3R)-3-propylpyrrolidin-3-yl]methyl]piperazine 1-ethyl-4-[[(3R)-3-propylpyrroli…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.04 5.77 -84.87 3 3 2 24 241.423 5 ↓
Hi High (pH 8-9.5) 2.04 3.51 -39.95 2 3 1 23 240.415 5 ↓

Analogs

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Popular Name: 1-isopropyl-4-[[(3R)-3-methylpyrrolidin-3-yl]methyl]piperazine 1-isopropyl-4-[[(3R)-3-methylpyr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.44 5.23 -81.75 3 3 2 24 227.396 3 ↓
Hi High (pH 8-9.5) 1.44 3.01 -38.39 2 3 1 23 226.388 3 ↓

Analogs

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Popular Name: 1-isopropyl-4-[[(3S)-3-methylpyrrolidin-3-yl]methyl]piperazine 1-isopropyl-4-[[(3S)-3-methylpyr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.44 5 -85.55 3 3 2 24 227.396 3 ↓
Hi High (pH 8-9.5) 1.44 2.8 -37.86 2 3 1 23 226.388 3 ↓

Analogs

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Popular Name: 1-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]-4-isopropyl-piperazine 1-[[(3S)-3-ethylpyrrolidin-3-yl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.77 5.96 -90.16 3 3 2 24 241.423 4 ↓
Hi High (pH 8-9.5) 1.77 3.68 -35.99 2 3 1 23 240.415 4 ↓

Analogs

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Popular Name: 1-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]-4-isopropyl-piperazine 1-[[(3R)-3-ethylpyrrolidin-3-yl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.77 5.55 -82.84 3 3 2 24 241.423 4 ↓
Hi High (pH 8-9.5) 1.77 3.12 -38.61 2 3 1 23 240.415 4 ↓

Analogs

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Popular Name: 1-isopropyl-4-[[(3S)-3-propylpyrrolidin-3-yl]methyl]piperazine 1-isopropyl-4-[[(3S)-3-propylpyr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.33 6.73 -90.95 3 3 2 24 255.45 5 ↓
Hi High (pH 8-9.5) 2.33 4.45 -36.45 2 3 1 23 254.442 5 ↓

Analogs

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Popular Name: 1-isopropyl-4-[[(3R)-3-propylpyrrolidin-3-yl]methyl]piperazine 1-isopropyl-4-[[(3R)-3-propylpyr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.33 6.28 -84 3 3 2 24 255.45 5 ↓
Hi High (pH 8-9.5) 2.33 3.87 -39.52 2 3 1 23 254.442 5 ↓

Analogs

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Popular Name: 1-tert-butyl-4-[[(3S)-3-methylpyrrolidin-3-yl]methyl]piperazine 1-tert-butyl-4-[[(3S)-3-methylpy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.95 5.25 -84.83 3 3 2 24 241.423 3 ↓
Hi High (pH 8-9.5) 1.95 3.13 -37.6 2 3 1 23 240.415 3 ↓

Analogs

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Popular Name: 1-tert-butyl-4-[[(3R)-3-methylpyrrolidin-3-yl]methyl]piperazine 1-tert-butyl-4-[[(3R)-3-methylpy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.95 5.36 -81.32 3 3 2 24 241.423 3 ↓
Hi High (pH 8-9.5) 1.95 3.23 -38.08 2 3 1 23 240.415 3 ↓

Analogs

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Popular Name: 1-tert-butyl-4-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]piperazine 1-tert-butyl-4-[[(3S)-3-ethylpyr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.29 5.72 -87.5 3 3 2 24 255.45 4 ↓
Hi High (pH 8-9.5) 2.29 3.61 -38.54 2 3 1 23 254.442 4 ↓

Analogs

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Popular Name: 1-tert-butyl-4-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]piperazine 1-tert-butyl-4-[[(3R)-3-ethylpyr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.29 5.77 -82.21 3 3 2 24 255.45 4 ↓
Hi High (pH 8-9.5) 2.29 3.63 -38.46 2 3 1 23 254.442 4 ↓

Analogs

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Popular Name: 1-tert-butyl-4-[[(3S)-3-propylpyrrolidin-3-yl]methyl]piperazine 1-tert-butyl-4-[[(3S)-3-propylpy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.85 6.93 -90.08 3 3 2 24 269.477 5 ↓
Hi High (pH 8-9.5) 2.85 4.76 -36.63 2 3 1 23 268.469 5 ↓

Analogs

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Popular Name: 1-tert-butyl-4-[[(3R)-3-propylpyrrolidin-3-yl]methyl]piperazine 1-tert-butyl-4-[[(3R)-3-propylpy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.85 6.53 -83.34 3 3 2 24 269.477 5 ↓
Hi High (pH 8-9.5) 2.85 4.38 -39.35 2 3 1 23 268.469 5 ↓

Analogs

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Popular Name: 1-[(1R)-1-methylpropyl]-4-[[(3R)-3-methylpyrrolidin-3-yl]methyl]piperazine 1-[(1R)-1-methylpropyl]-4-[[(3R)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.97 5.82 -82.22 3 3 2 24 241.423 4 ↓
Hi High (pH 8-9.5) 1.97 4.02 -37.82 2 3 1 23 240.415 4 ↓

Analogs

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Popular Name: 1-[(1S)-1-methylpropyl]-4-[[(3R)-3-methylpyrrolidin-3-yl]methyl]piperazine 1-[(1S)-1-methylpropyl]-4-[[(3R)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.97 5.76 -82.13 3 3 2 24 241.423 4 ↓
Hi High (pH 8-9.5) 1.97 3.81 -37.95 2 3 1 23 240.415 4 ↓

Analogs

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Popular Name: 1-[(1R)-1-methylpropyl]-4-[[(3S)-3-methylpyrrolidin-3-yl]methyl]piperazine 1-[(1R)-1-methylpropyl]-4-[[(3S)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.97 5.6 -86.49 3 3 2 24 241.423 4 ↓
Hi High (pH 8-9.5) 1.97 3.64 -37.5 2 3 1 23 240.415 4 ↓

Analogs

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Popular Name: 1-[(1S)-1-methylpropyl]-4-[[(3S)-3-methylpyrrolidin-3-yl]methyl]piperazine 1-[(1S)-1-methylpropyl]-4-[[(3S)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.97 5.61 -85.96 3 3 2 24 241.423 4 ↓
Hi High (pH 8-9.5) 1.97 3.64 -37.69 2 3 1 23 240.415 4 ↓

Analogs

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Popular Name: 1-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]-4-[(1R)-1-methylpropyl]piperazine 1-[[(3R)-3-ethylpyrrolidin-3-yl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.31 6.15 -83.14 3 3 2 24 255.45 5 ↓
Hi High (pH 8-9.5) 2.31 4.26 -38.28 2 3 1 23 254.442 5 ↓

Analogs

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Popular Name: 1-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]-4-[(1S)-1-methylpropyl]piperazine 1-[[(3R)-3-ethylpyrrolidin-3-yl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.31 6.15 -82.92 3 3 2 24 255.45 5 ↓
Hi High (pH 8-9.5) 2.31 4.19 -38.45 2 3 1 23 254.442 5 ↓

Analogs

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Popular Name: 1-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]-4-[(1R)-1-methylpropyl]piperazine 1-[[(3S)-3-ethylpyrrolidin-3-yl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.31 6.65 -89.98 3 3 2 24 255.45 5 ↓
Hi High (pH 8-9.5) 2.31 4.51 -35.41 2 3 1 23 254.442 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]-4-[(1S)-1-methylpropyl]piperazine 1-[[(3S)-3-ethylpyrrolidin-3-yl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.31 6.44 -90.04 3 3 2 24 255.45 5 ↓
Hi High (pH 8-9.5) 2.31 4.6 -35.41 2 3 1 23 254.442 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-methylpropyl]-4-[[(3S)-3-propylpyrrolidin-3-yl]methyl]piperazine 1-[(1S)-1-methylpropyl]-4-[[(3S)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.87 7.31 -91.06 3 3 2 24 269.477 6 ↓
Hi High (pH 8-9.5) 2.87 5.37 -36.48 2 3 1 23 268.469 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-methylpropyl]-4-[[(3R)-3-propylpyrrolidin-3-yl]methyl]piperazine 1-[(1S)-1-methylpropyl]-4-[[(3R)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.87 6.87 -84.05 3 3 2 24 269.477 6 ↓
Hi High (pH 8-9.5) 2.87 4.99 -39.17 2 3 1 23 268.469 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-methylpropyl]-4-[[(3S)-3-propylpyrrolidin-3-yl]methyl]piperazine 1-[(1R)-1-methylpropyl]-4-[[(3S)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.87 7.32 -91.29 3 3 2 24 269.477 6 ↓
Hi High (pH 8-9.5) 2.87 5.32 -36.46 2 3 1 23 268.469 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-methylpropyl]-4-[[(3R)-3-propylpyrrolidin-3-yl]methyl]piperazine 1-[(1R)-1-methylpropyl]-4-[[(3R)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.87 6.87 -84.34 3 3 2 24 269.477 6 ↓
Hi High (pH 8-9.5) 2.87 4.94 -39.17 2 3 1 23 268.469 6 ↓

Analogs

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Popular Name: 1-isobutyl-4-[[(3R)-3-methylpyrrolidin-3-yl]methyl]piperazine 1-isobutyl-4-[[(3R)-3-methylpyrr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.89 6.14 -83.99 3 3 2 24 241.423 4 ↓
Hi High (pH 8-9.5) 1.89 4.12 -38.21 2 3 1 23 240.415 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-isobutyl-4-[[(3S)-3-methylpyrrolidin-3-yl]methyl]piperazine 1-isobutyl-4-[[(3S)-3-methylpyrr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.89 5.9 -88.14 3 3 2 24 241.423 4 ↓
Hi High (pH 8-9.5) 1.89 3.95 -37.65 2 3 1 23 240.415 4 ↓

Analogs

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Popular Name: 1-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]-4-isobutyl-piperazine 1-[[(3S)-3-ethylpyrrolidin-3-yl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.22 6.45 -89.83 3 3 2 24 255.45 5 ↓
Hi High (pH 8-9.5) 2.22 4.61 -38.65 2 3 1 23 254.442 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]-4-isobutyl-piperazine 1-[[(3R)-3-ethylpyrrolidin-3-yl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.22 6.48 -84.69 3 3 2 24 255.45 5 ↓
Hi High (pH 8-9.5) 2.22 4.65 -38.6 2 3 1 23 254.442 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-isobutyl-4-[[(3S)-3-propylpyrrolidin-3-yl]methyl]piperazine 1-isobutyl-4-[[(3S)-3-propylpyrr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.78 7.21 -90.61 3 3 2 24 269.477 6 ↓
Hi High (pH 8-9.5) 2.78 5.38 -39.07 2 3 1 23 268.469 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-isobutyl-4-[[(3R)-3-propylpyrrolidin-3-yl]methyl]piperazine 1-isobutyl-4-[[(3R)-3-propylpyrr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.78 7.23 -85.76 3 3 2 24 269.477 6 ↓
Hi High (pH 8-9.5) 2.78 5.24 -39.53 2 3 1 23 268.469 6 ↓

Parameters Provided:

ring.id = 27996
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 27996 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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